Compile Data Set for Download or QSAR

Found 2029 hits with Last Name = 'chandrasekhar' and Initial = 'j'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50272695 (3-(4-chloro-2-morpholinothiazol-5-yl)-2,6-dimethyl...) Show SMILES CCC(CC)c1cc(C)nn2c(c(C)nc12)-c1sc(nc1Cl)N1CCOCC1 |(8.98,-11.26,;8.98,-12.8,;7.65,-13.58,;6.32,-12.81,;4.99,-13.59,;7.66,-15.12,;6.34,-15.89,;6.33,-17.43,;5,-18.2,;7.67,-18.2,;9.01,-17.43,;10.49,-17.9,;11.4,-16.64,;12.94,-16.63,;10.48,-15.39,;9,-15.88,;10.98,-19.36,;12.45,-19.83,;12.46,-21.37,;11,-21.85,;10.09,-20.61,;8.55,-20.62,;13.71,-22.26,;13.55,-23.79,;14.79,-24.69,;16.2,-24.06,;16.36,-22.53,;15.11,-21.62,)| Show InChI InChI=1S/C20H26ClN5OS/c1-5-14(6-2)15-11-12(3)24-26-16(13(4)22-19(15)26)17-18(21)23-20(28-17)25-7-9-27-10-8-25/h11,14H,5-10H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [125I]sauvagine from human CRF1 receptor expressed in IMR32 cells				Bioorg Med Chem Lett 18: 4486-90 (2008) Article DOI: 10.1016/j.bmcl.2008.07.063 BindingDB Entry DOI: 10.7270/Q2NG4RJ4
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50202412 (3-Chloro-3'-fluoro-4'-((R)-1-{[1-(2,2,2-trifluoro-...) Show SMILES COC(=O)c1c(Cl)cccc1-c1ccc([C@@H](C)NC(=O)C2(CC2)NC(=O)C(F)(F)F)c(F)c1 |r| Show InChI InChI=1S/C22H19ClF4N2O4/c1-11(28-19(31)21(8-9-21)29-20(32)22(25,26)27)13-7-6-12(10-16(13)24)14-4-3-5-15(23)17(14)18(30)33-2/h3-7,10-11H,8-9H2,1-2H3,(H,28,31)(H,29,32)/t11-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Inhibition of human bradykinin B1 receptor				Bioorg Med Chem Lett 18: 5027-31 (2008) Article DOI: 10.1016/j.bmcl.2008.08.014 BindingDB Entry DOI: 10.7270/Q2NG4QDX
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50127438 (1-(2-Oxo-5-phenethyl-1-propyl-2,3-dihydro-1H-benzo...) Show SMILES CCCN1c2ccccc2C(CCc2ccccc2)=NC(NC(=O)Nc2ccc(cc2)N2CCN(CC2)c2ccncc2)C1=O |c:20| Show InChI InChI=1S/C36H39N7O2/c1-2-22-43-33-11-7-6-10-31(33)32(17-12-27-8-4-3-5-9-27)39-34(35(43)44)40-36(45)38-28-13-15-29(16-14-28)41-23-25-42(26-24-41)30-18-20-37-21-19-30/h3-11,13-16,18-21,34H,2,12,17,22-26H2,1H3,(H2,38,40,45)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.590	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Inhibition of human bradykinin B1 receptor				Bioorg Med Chem Lett 18: 5027-31 (2008) Article DOI: 10.1016/j.bmcl.2008.08.014 BindingDB Entry DOI: 10.7270/Q2NG4QDX
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50132951 (8-(2,4-dichlorophenyl)-2-methyl-N,N-dipropylquinol...) Show SMILES CCCN(CCC)c1cc(C)nc2c(cccc12)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C22H24Cl2N2/c1-4-11-26(12-5-2)21-13-15(3)25-22-18(7-6-8-19(21)22)17-10-9-16(23)14-20(17)24/h6-10,13-14H,4-5,11-12H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [125I]sauvagine from CRF1 receptor expressed in human IMR32 cells				Bioorg Med Chem Lett 18: 891-6 (2008) Article DOI: 10.1016/j.bmcl.2007.12.050 BindingDB Entry DOI: 10.7270/Q28S4PPS
					More data for this Ligand-Target Pair
B1 bradykinin receptor (RAT)	BDBM50127438 (1-(2-Oxo-5-phenethyl-1-propyl-2,3-dihydro-1H-benzo...) Show SMILES CCCN1c2ccccc2C(CCc2ccccc2)=NC(NC(=O)Nc2ccc(cc2)N2CCN(CC2)c2ccncc2)C1=O |c:20| Show InChI InChI=1S/C36H39N7O2/c1-2-22-43-33-11-7-6-10-31(33)32(17-12-27-8-4-3-5-9-27)39-34(35(43)44)40-36(45)38-28-13-15-29(16-14-28)41-23-25-42(26-24-41)30-18-20-37-21-19-30/h3-11,13-16,18-21,34H,2,12,17,22-26H2,1H3,(H2,38,40,45)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.920	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Antagonist activity at rat bradykinin B1 receptor				Bioorg Med Chem Lett 18: 5027-31 (2008) Article DOI: 10.1016/j.bmcl.2008.08.014 BindingDB Entry DOI: 10.7270/Q2NG4QDX
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50092053 (2-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1-(2,3-dihy...) Show SMILES Clc1ccc(CN2CCN(CC(=O)N3CCc4ccccc34)CC2)cc1 Show InChI InChI=1S/C21H24ClN3O/c22-19-7-5-17(6-8-19)15-23-11-13-24(14-12-23)16-21(26)25-10-9-18-3-1-2-4-20(18)25/h1-8H,9-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [3H]-YM 09151 from D4 receptor				Bioorg Med Chem Lett 13: 701-4 (2003) BindingDB Entry DOI: 10.7270/Q2B56J44
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM29442 (CHEMBL524616 | Pyrazolo[1,5-a]-1,3,5-triazine, 12-...) Show SMILES COCC(COC)Nc1nc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1C |(2.32,11.47,;1.92,9.99,;.43,9.59,;-.06,8.13,;.95,6.97,;2.44,7.37,;3.53,6.28,;-1.57,7.83,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-1.66,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;1.01,-1.02,;1.01,.52,;2.34,1.29,)| Show InChI InChI=1S/C20H27N5O3/c1-12-9-16(28-6)7-8-17(12)18-13(2)24-25-19(18)21-14(3)22-20(25)23-15(10-26-4)11-27-5/h7-9,15H,10-11H2,1-6H3,(H,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [125I]sauvagine from human CRF1 receptor expressed in IMR32 cells				Bioorg Med Chem Lett 18: 4486-90 (2008) Article DOI: 10.1016/j.bmcl.2008.07.063 BindingDB Entry DOI: 10.7270/Q2NG4RJ4
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50348828 (CHEMBL1628268 | SR-125543A) Show SMILES COc1cc(Cl)c(cc1C)-c1nc(sc1C)N(CC#C)[C@@H](CC1CC1)c1ccc(C)c(F)c1 |r| Show InChI InChI=1S/C27H28ClFN2OS/c1-6-11-31(24(13-19-8-9-19)20-10-7-16(2)23(29)14-20)27-30-26(18(4)33-27)21-12-17(3)25(32-5)15-22(21)28/h1,7,10,12,14-15,19,24H,8-9,11,13H2,2-5H3/t24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [125I]sauvagine from human CRF1 receptor expressed in IMR32 cells				Bioorg Med Chem Lett 18: 4486-90 (2008) Article DOI: 10.1016/j.bmcl.2008.07.063 BindingDB Entry DOI: 10.7270/Q2NG4RJ4
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50272638 (2-(4-chloro-2,6-dimethoxyphenyl)-4-methoxy-6-methy...) Show SMILES CCCN(CCC)c1c(C)nc(nc1OC)-c1c(OC)cc(Cl)cc1OC Show InChI InChI=1S/C20H28ClN3O3/c1-7-9-24(10-8-2)18-13(3)22-19(23-20(18)27-6)17-15(25-4)11-14(21)12-16(17)26-5/h11-12H,7-10H2,1-6H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [125I]sauvagine from human CRF1 receptor expressed in IMR32 cells				Bioorg Med Chem Lett 18: 4486-90 (2008) Article DOI: 10.1016/j.bmcl.2008.07.063 BindingDB Entry DOI: 10.7270/Q2NG4RJ4
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50058163 (Butyl-[2,5-dimethyl-7-(2,4,6-trimethyl-phenyl)-7H-...) Show SMILES CCCCN(CC)c1nc(C)nc2n(cc(C)c12)-c1c(C)cc(C)cc1C |(-10.62,2.69,;-9.29,3.46,;-7.95,2.7,;-6.62,3.48,;-5.28,2.71,;-3.95,3.49,;-3.96,5.03,;-5.27,1.17,;-6.6,.4,;-6.6,-1.14,;-7.94,-1.91,;-5.27,-1.91,;-3.92,-1.14,;-2.44,-1.61,;-1.54,-.35,;-2.46,.9,;-1.99,2.37,;-3.93,.41,;-1.96,-3.07,;-2.99,-4.22,;-4.49,-3.91,;-2.5,-5.68,;-.99,-5.99,;-.51,-7.46,;.03,-4.83,;-.46,-3.38,;.56,-2.22,)| Show InChI InChI=1S/C23H32N4/c1-8-10-11-26(9-2)22-20-18(6)14-27(23(20)25-19(7)24-22)21-16(4)12-15(3)13-17(21)5/h12-14H,8-11H2,1-7H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [125I]sauvagine from CRF1 receptor expressed in human IMR32 cells				Bioorg Med Chem Lett 18: 891-6 (2008) Article DOI: 10.1016/j.bmcl.2007.12.050 BindingDB Entry DOI: 10.7270/Q28S4PPS
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50124931 (5-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1,2,6,7-tet...) Show SMILES Clc1ccc(CN2CCN(CC2)C2CCc3cccc4CCN(c34)C2=O)cc1 Show InChI InChI=1S/C23H26ClN3O/c24-20-7-4-17(5-8-20)16-25-12-14-26(15-13-25)21-9-6-18-2-1-3-19-10-11-27(22(18)19)23(21)28/h1-5,7-8,21H,6,9-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description D4 receptor functional activity was measured inhibition of quinpirole stimulated [35S]GTP-gamma-S binding from cell membranes.				Bioorg Med Chem Lett 13: 701-4 (2003) BindingDB Entry DOI: 10.7270/Q2B56J44
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50058163 (Butyl-[2,5-dimethyl-7-(2,4,6-trimethyl-phenyl)-7H-...) Show SMILES CCCCN(CC)c1nc(C)nc2n(cc(C)c12)-c1c(C)cc(C)cc1C |(-10.62,2.69,;-9.29,3.46,;-7.95,2.7,;-6.62,3.48,;-5.28,2.71,;-3.95,3.49,;-3.96,5.03,;-5.27,1.17,;-6.6,.4,;-6.6,-1.14,;-7.94,-1.91,;-5.27,-1.91,;-3.92,-1.14,;-2.44,-1.61,;-1.54,-.35,;-2.46,.9,;-1.99,2.37,;-3.93,.41,;-1.96,-3.07,;-2.99,-4.22,;-4.49,-3.91,;-2.5,-5.68,;-.99,-5.99,;-.51,-7.46,;.03,-4.83,;-.46,-3.38,;.56,-2.22,)| Show InChI InChI=1S/C23H32N4/c1-8-10-11-26(9-2)22-20-18(6)14-27(23(20)25-19(7)24-22)21-16(4)12-15(3)13-17(21)5/h12-14H,8-11H2,1-7H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [125I]sauvagine from human CRF1 receptor expressed in IMR32 cells				Bioorg Med Chem Lett 18: 4486-90 (2008) Article DOI: 10.1016/j.bmcl.2008.07.063 BindingDB Entry DOI: 10.7270/Q2NG4RJ4
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50116105 (3-(6-(dimethylamino)-4-methylpyridin-3-yl)-2,5-dim...) Show SMILES CCCN(CCC)c1cc(C)nc2c(c(C)nn12)-c1cnc(cc1C)N(C)C |(-1.91,-13.39,;-3.24,-14.16,;-4.58,-13.4,;-5.91,-14.18,;-7.24,-13.41,;-8.57,-14.19,;-9.91,-13.42,;-5.9,-15.72,;-7.22,-16.49,;-7.23,-18.03,;-8.56,-18.8,;-5.9,-18.8,;-4.55,-18.03,;-3.07,-18.5,;-2.16,-17.24,;-.62,-17.23,;-3.09,-15.99,;-4.56,-16.48,;-2.58,-19.96,;-3.61,-21.11,;-3.13,-22.57,;-1.62,-22.88,;-.59,-21.72,;-1.08,-20.27,;-.06,-19.11,;-1.13,-24.34,;.38,-24.65,;-2.15,-25.5,)| Show InChI InChI=1S/C22H32N6/c1-8-10-27(11-9-2)20-13-16(4)24-22-21(17(5)25-28(20)22)18-14-23-19(26(6)7)12-15(18)3/h12-14H,8-11H2,1-7H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [125I]sauvagine from human CRF1 receptor expressed in IMR32 cells				Bioorg Med Chem Lett 18: 4486-90 (2008) Article DOI: 10.1016/j.bmcl.2008.07.063 BindingDB Entry DOI: 10.7270/Q2NG4RJ4
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50001884 (2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...) Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from alpha-1 adrenergic receptor of rat brain homogenate				Bioorg Med Chem Lett 13: 701-4 (2003) BindingDB Entry DOI: 10.7270/Q2B56J44
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50092046 (3-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1-ethyl-3,4...) Show SMILES CCN1C(=O)C(Cc2ccccc12)N1CCN(Cc2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C22H26ClN3O/c1-2-26-20-6-4-3-5-18(20)15-21(22(26)27)25-13-11-24(12-14-25)16-17-7-9-19(23)10-8-17/h3-10,21H,2,11-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [3H]-YM 09151 from D4 receptor				Bioorg Med Chem Lett 13: 701-4 (2003) BindingDB Entry DOI: 10.7270/Q2B56J44
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50124932 (5-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1,2,6,7-tet...) Show SMILES Cc1ccc(CN2CCN(CC2)C2CCc3cccc4CCN(c34)C2=O)cc1 Show InChI InChI=1S/C24H29N3O/c1-18-5-7-19(8-6-18)17-25-13-15-26(16-14-25)22-10-9-20-3-2-4-21-11-12-27(23(20)21)24(22)28/h2-8,22H,9-17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [3H]-YM 09151 from D4 receptor				Bioorg Med Chem Lett 13: 701-4 (2003) BindingDB Entry DOI: 10.7270/Q2B56J44
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50124931 (5-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1,2,6,7-tet...) Show SMILES Clc1ccc(CN2CCN(CC2)C2CCc3cccc4CCN(c34)C2=O)cc1 Show InChI InChI=1S/C23H26ClN3O/c24-20-7-4-17(5-8-20)16-25-12-14-26(15-13-25)21-9-6-18-2-1-3-19-10-11-27(22(18)19)23(21)28/h1-5,7-8,21H,6,9-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [3H]-YM 09151 from D4 receptor				Bioorg Med Chem Lett 13: 701-4 (2003) BindingDB Entry DOI: 10.7270/Q2B56J44
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50231916 (CHEMBL404351 | N-(cyclopropylmethyl)-1-(2-methoxy-...) Show SMILES CCCN(CC1CC1)c1c(C)nc(-c2c(C)cc(C)cc2OC)c2ccccc12 |(14.99,5.95,;16.33,5.19,;16.34,3.65,;17.67,2.88,;19,3.66,;19,5.2,;19.77,6.53,;18.23,6.52,;17.68,1.34,;16.36,.57,;15.02,1.34,;16.35,-.97,;17.68,-1.74,;17.69,-3.28,;16.35,-4.05,;15.02,-3.28,;16.35,-5.59,;17.69,-6.36,;17.69,-7.9,;19.03,-5.58,;19.02,-4.04,;20.35,-3.27,;21.69,-4.03,;19.02,-.96,;20.34,-1.73,;21.7,-.96,;21.69,.59,;20.35,1.35,;19.02,.58,)| Show InChI InChI=1S/C26H32N2O/c1-6-13-28(16-20-11-12-20)26-19(4)27-25(21-9-7-8-10-22(21)26)24-18(3)14-17(2)15-23(24)29-5/h7-10,14-15,20H,6,11-13,16H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [125I]sauvagine from CRF1 receptor expressed in human IMR32 cells				Bioorg Med Chem Lett 18: 891-6 (2008) Article DOI: 10.1016/j.bmcl.2007.12.050 BindingDB Entry DOI: 10.7270/Q28S4PPS
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50231921 (1-(2-methoxy-4,6-dimethylphenyl)-3-methyl-N,N-dipr...) Show SMILES CCCN(CCC)c1c(C)nc(-c2c(C)cc(C)cc2OC)c2ccccc12 |(18.7,-17.27,;20.04,-16.5,;21.37,-17.27,;22.7,-16.5,;22.7,-14.96,;21.37,-14.19,;21.37,-12.65,;24.04,-17.26,;25.36,-16.49,;25.36,-14.95,;26.7,-17.26,;26.71,-18.81,;28.04,-19.58,;28.04,-21.12,;26.71,-21.89,;29.37,-21.89,;30.71,-21.11,;32.04,-21.88,;30.7,-19.57,;29.37,-18.8,;29.36,-17.26,;30.69,-16.49,;25.37,-19.58,;25.37,-21.11,;24.05,-21.88,;22.71,-21.11,;22.71,-19.58,;24.04,-18.81,)| Show InChI InChI=1S/C25H32N2O/c1-7-13-27(14-8-2)25-19(5)26-24(20-11-9-10-12-21(20)25)23-18(4)15-17(3)16-22(23)28-6/h9-12,15-16H,7-8,13-14H2,1-6H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [125I]sauvagine from human CRF1 receptor expressed in IMR32 cells				Bioorg Med Chem Lett 18: 4486-90 (2008) Article DOI: 10.1016/j.bmcl.2008.07.063 BindingDB Entry DOI: 10.7270/Q2NG4RJ4
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50231921 (1-(2-methoxy-4,6-dimethylphenyl)-3-methyl-N,N-dipr...) Show SMILES CCCN(CCC)c1c(C)nc(-c2c(C)cc(C)cc2OC)c2ccccc12 |(18.7,-17.27,;20.04,-16.5,;21.37,-17.27,;22.7,-16.5,;22.7,-14.96,;21.37,-14.19,;21.37,-12.65,;24.04,-17.26,;25.36,-16.49,;25.36,-14.95,;26.7,-17.26,;26.71,-18.81,;28.04,-19.58,;28.04,-21.12,;26.71,-21.89,;29.37,-21.89,;30.71,-21.11,;32.04,-21.88,;30.7,-19.57,;29.37,-18.8,;29.36,-17.26,;30.69,-16.49,;25.37,-19.58,;25.37,-21.11,;24.05,-21.88,;22.71,-21.11,;22.71,-19.58,;24.04,-18.81,)| Show InChI InChI=1S/C25H32N2O/c1-7-13-27(14-8-2)25-19(5)26-24(20-11-9-10-12-21(20)25)23-18(4)15-17(3)16-22(23)28-6/h9-12,15-16H,7-8,13-14H2,1-6H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [125I]sauvagine from CRF1 receptor expressed in human IMR32 cells				Bioorg Med Chem Lett 18: 891-6 (2008) Article DOI: 10.1016/j.bmcl.2007.12.050 BindingDB Entry DOI: 10.7270/Q28S4PPS
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50272702 (4-methoxy-2-(2-methoxy-4,6-bis(trifluoromethyl)phe...) Show SMILES CCCN(CCC)c1c(C)nc(nc1OC)-c1c(OC)cc(cc1C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C21H25F6N3O2/c1-6-8-30(9-7-2)17-12(3)28-18(29-19(17)32-5)16-14(21(25,26)27)10-13(20(22,23)24)11-15(16)31-4/h10-11H,6-9H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [125I]sauvagine from human CRF1 receptor expressed in IMR32 cells				Bioorg Med Chem Lett 18: 4486-90 (2008) Article DOI: 10.1016/j.bmcl.2008.07.063 BindingDB Entry DOI: 10.7270/Q2NG4RJ4
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50231925 (CHEMBL253914 | N,N-bis(cyclopropylmethyl)-1-(2-met...) Show SMILES COc1cc(C)cc(C)c1-c1nc(C)c(N(CC2CC2)CC2CC2)c2ccccc12 |(33.37,-4.76,;32.04,-3.99,;30.71,-4.77,;30.71,-6.3,;29.38,-7.08,;29.38,-8.62,;28.04,-6.31,;28.04,-4.77,;26.71,-4,;29.38,-4,;29.37,-2.47,;28.04,-1.7,;28.04,-.15,;26.71,.62,;29.37,.62,;29.36,2.16,;30.69,2.93,;30.68,4.47,;31.45,5.8,;29.91,5.8,;28.02,2.92,;28.02,4.46,;28.78,5.79,;27.24,5.79,;30.71,-.15,;32.03,.63,;33.37,-.13,;33.38,-1.68,;32.03,-2.45,;30.71,-1.69,)| Show InChI InChI=1S/C27H32N2O/c1-17-13-18(2)25(24(14-17)30-4)26-22-7-5-6-8-23(22)27(19(3)28-26)29(15-20-9-10-20)16-21-11-12-21/h5-8,13-14,20-21H,9-12,15-16H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [125I]sauvagine from CRF1 receptor expressed in human IMR32 cells				Bioorg Med Chem Lett 18: 891-6 (2008) Article DOI: 10.1016/j.bmcl.2007.12.050 BindingDB Entry DOI: 10.7270/Q28S4PPS
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50231907 (1-(2,4-bis(2,2-difluoroethyl)-6-methoxyphenyl)-3-m...) Show SMILES CCCN(CCC)c1c(C)nc(-c2c(CC(F)F)cc(CC(F)F)cc2OC)c2ccccc12 |(8.74,-42.13,;7.41,-42.91,;7.42,-44.45,;6.09,-45.22,;4.75,-44.46,;4.74,-42.92,;3.41,-42.16,;6.1,-46.76,;4.77,-47.53,;3.44,-46.77,;4.77,-49.08,;6.1,-49.85,;6.1,-51.38,;4.77,-52.15,;3.43,-51.38,;2.1,-52.15,;.77,-51.38,;2.1,-53.69,;4.77,-53.69,;6.1,-54.46,;6.11,-56,;4.78,-56.78,;3.44,-56.01,;4.78,-58.32,;7.44,-53.68,;7.43,-52.15,;8.76,-51.37,;10.1,-52.14,;7.44,-49.07,;8.76,-49.83,;10.11,-49.06,;10.1,-47.51,;8.76,-46.75,;7.44,-47.53,)| Show InChI InChI=1S/C27H32F4N2O/c1-5-11-33(12-6-2)27-17(3)32-26(20-9-7-8-10-21(20)27)25-19(16-24(30)31)13-18(15-23(28)29)14-22(25)34-4/h7-10,13-14,23-24H,5-6,11-12,15-16H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [125I]sauvagine from CRF1 receptor expressed in human IMR32 cells				Bioorg Med Chem Lett 18: 891-6 (2008) Article DOI: 10.1016/j.bmcl.2007.12.050 BindingDB Entry DOI: 10.7270/Q28S4PPS
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50272703 (4-methoxy-2-(2-methoxy-4,6-dimethylphenyl)-6-methy...) Show SMILES CCC(CC)Oc1c(C)nc(nc1OC)-c1c(C)cc(C)cc1OC Show InChI InChI=1S/C20H28N2O3/c1-8-15(9-2)25-18-14(5)21-19(22-20(18)24-7)17-13(4)10-12(3)11-16(17)23-6/h10-11,15H,8-9H2,1-7H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [125I]sauvagine from human CRF1 receptor expressed in IMR32 cells				Bioorg Med Chem Lett 18: 4486-90 (2008) Article DOI: 10.1016/j.bmcl.2008.07.063 BindingDB Entry DOI: 10.7270/Q2NG4RJ4
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50231927 (3-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-N,N-dipro...) Show SMILES CCCN(CCC)c1c(CC)nc(-c2c(C)cc(C)cc2OC)c2ccccc12 |(8.99,5.66,;7.66,4.88,;7.67,3.34,;6.34,2.57,;5,3.33,;4.99,4.87,;3.66,5.63,;6.34,1.03,;5.02,.26,;3.68,1.03,;2.35,.25,;5.02,-1.29,;6.35,-2.06,;6.35,-3.59,;5.02,-4.36,;3.68,-3.59,;5.02,-5.9,;6.35,-6.67,;6.36,-8.21,;7.69,-5.89,;7.68,-4.36,;9.01,-3.58,;10.35,-4.35,;7.69,-1.28,;9.01,-2.04,;10.36,-1.27,;10.35,.28,;9.01,1.04,;7.68,.26,)| Show InChI InChI=1S/C26H34N2O/c1-7-14-28(15-8-2)26-21-13-11-10-12-20(21)25(27-22(26)9-3)24-19(5)16-18(4)17-23(24)29-6/h10-13,16-17H,7-9,14-15H2,1-6H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [125I]sauvagine from CRF1 receptor expressed in human IMR32 cells				Bioorg Med Chem Lett 18: 891-6 (2008) Article DOI: 10.1016/j.bmcl.2007.12.050 BindingDB Entry DOI: 10.7270/Q28S4PPS
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50272705 (2-(4-(difluoromethyl)-2,6-dimethoxyphenyl)-4-metho...) Show SMILES CCC(CC)Oc1c(C)nc(nc1OC)-c1c(OC)cc(cc1OC)C(F)F Show InChI InChI=1S/C20H26F2N2O4/c1-7-13(8-2)28-17-11(3)23-19(24-20(17)27-6)16-14(25-4)9-12(18(21)22)10-15(16)26-5/h9-10,13,18H,7-8H2,1-6H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [125I]sauvagine from human CRF1 receptor expressed in IMR32 cells				Bioorg Med Chem Lett 18: 4486-90 (2008) Article DOI: 10.1016/j.bmcl.2008.07.063 BindingDB Entry DOI: 10.7270/Q2NG4RJ4
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50124934 (5-[4-(4-Chloro-benzyl)-piperazin-1-yl]-2-methyl-1,...) Show SMILES CC1Cc2cccc3CCC(N4CCN(Cc5ccc(Cl)cc5)CC4)C(=O)N1c23 Show InChI InChI=1S/C24H28ClN3O/c1-17-15-20-4-2-3-19-7-10-22(24(29)28(17)23(19)20)27-13-11-26(12-14-27)16-18-5-8-21(25)9-6-18/h2-6,8-9,17,22H,7,10-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [3H]-YM 09151 from D4 receptor				Bioorg Med Chem Lett 13: 701-4 (2003) BindingDB Entry DOI: 10.7270/Q2B56J44
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50272704 (2-(4-chloro-2,6-dimethoxyphenyl)-4-methoxy-6-methy...) Show SMILES CCC(CC)Oc1c(C)nc(nc1OC)-c1c(OC)cc(Cl)cc1OC Show InChI InChI=1S/C19H25ClN2O4/c1-7-13(8-2)26-17-11(3)21-18(22-19(17)25-6)16-14(23-4)9-12(20)10-15(16)24-5/h9-10,13H,7-8H2,1-6H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [125I]sauvagine from human CRF1 receptor expressed in IMR32 cells				Bioorg Med Chem Lett 18: 4486-90 (2008) Article DOI: 10.1016/j.bmcl.2008.07.063 BindingDB Entry DOI: 10.7270/Q2NG4RJ4
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50124935 (2-Methyl-5-[4-(4-methyl-benzyl)-piperazin-1-yl]-1,...) Show SMILES CC1Cc2cccc3CCC(N4CCN(Cc5ccc(C)cc5)CC4)C(=O)N1c23 Show InChI InChI=1S/C25H31N3O/c1-18-6-8-20(9-7-18)17-26-12-14-27(15-13-26)23-11-10-21-4-3-5-22-16-19(2)28(24(21)22)25(23)29/h3-9,19,23H,10-17H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [3H]-YM 09151 from D4 receptor				Bioorg Med Chem Lett 13: 701-4 (2003) BindingDB Entry DOI: 10.7270/Q2B56J44
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50124936 (2,2-Dimethyl-5-[4-(4-methyl-benzyl)-piperazin-1-yl...) Show SMILES Cc1ccc(CN2CCN(CC2)C2CCc3cccc4CC(C)(C)N(c34)C2=O)cc1 Show InChI InChI=1S/C26H33N3O/c1-19-7-9-20(10-8-19)18-27-13-15-28(16-14-27)23-12-11-21-5-4-6-22-17-26(2,3)29(24(21)22)25(23)30/h4-10,23H,11-18H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [3H]-YM 09151 from D4 receptor				Bioorg Med Chem Lett 13: 701-4 (2003) BindingDB Entry DOI: 10.7270/Q2B56J44
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50231921 (1-(2-methoxy-4,6-dimethylphenyl)-3-methyl-N,N-dipr...) Show SMILES CCCN(CCC)c1c(C)nc(-c2c(C)cc(C)cc2OC)c2ccccc12 |(18.7,-17.27,;20.04,-16.5,;21.37,-17.27,;22.7,-16.5,;22.7,-14.96,;21.37,-14.19,;21.37,-12.65,;24.04,-17.26,;25.36,-16.49,;25.36,-14.95,;26.7,-17.26,;26.71,-18.81,;28.04,-19.58,;28.04,-21.12,;26.71,-21.89,;29.37,-21.89,;30.71,-21.11,;32.04,-21.88,;30.7,-19.57,;29.37,-18.8,;29.36,-17.26,;30.69,-16.49,;25.37,-19.58,;25.37,-21.11,;24.05,-21.88,;22.71,-21.11,;22.71,-19.58,;24.04,-18.81,)| Show InChI InChI=1S/C25H32N2O/c1-7-13-27(14-8-2)25-19(5)26-24(20-11-9-10-12-21(20)25)23-18(4)15-17(3)16-22(23)28-6/h9-12,15-16H,7-8,13-14H2,1-6H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Antagonist activity at CRF1 receptor expressed in mouse AtT20 cells assessed as inhibition of sauvagine-stimulated cAMP accumulation				Bioorg Med Chem Lett 18: 891-6 (2008) Article DOI: 10.1016/j.bmcl.2007.12.050 BindingDB Entry DOI: 10.7270/Q28S4PPS
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50272750 (4-methoxy-2-(2-methoxy-4,6-dimethylphenyl)-6-methy...) Show SMILES CCCN(CCC)c1c(C)nc(nc1OC)-c1c(C)cc(C)cc1OC Show InChI InChI=1S/C21H31N3O2/c1-8-10-24(11-9-2)19-16(5)22-20(23-21(19)26-7)18-15(4)12-14(3)13-17(18)25-6/h12-13H,8-11H2,1-7H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [125I]sauvagine from human CRF1 receptor expressed in IMR32 cells				Bioorg Med Chem Lett 18: 4486-90 (2008) Article DOI: 10.1016/j.bmcl.2008.07.063 BindingDB Entry DOI: 10.7270/Q2NG4RJ4
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50272753 (4-ethoxy-2-(2-methoxy-4,6-dimethylphenyl)-6-methyl...) Show SMILES CCCN(CCC)c1c(C)nc(nc1OCC)-c1c(C)cc(C)cc1OC Show InChI InChI=1S/C22H33N3O2/c1-8-11-25(12-9-2)20-17(6)23-21(24-22(20)27-10-3)19-16(5)13-15(4)14-18(19)26-7/h13-14H,8-12H2,1-7H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [125I]sauvagine from human CRF1 receptor expressed in IMR32 cells				Bioorg Med Chem Lett 18: 4486-90 (2008) Article DOI: 10.1016/j.bmcl.2008.07.063 BindingDB Entry DOI: 10.7270/Q2NG4RJ4
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50001884 (2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...) Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [3H]-YM 09151 from D4 receptor				Bioorg Med Chem Lett 13: 701-4 (2003) BindingDB Entry DOI: 10.7270/Q2B56J44
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50231919 (1-(4-(difluoromethoxy)-2-methoxyphenyl)-3-methyl-N...) Show SMILES CCCN(CCC)c1c(C)nc(-c2ccc(OC(F)F)cc2OC)c2ccccc12 Show InChI InChI=1S/C24H28F2N2O2/c1-5-13-28(14-6-2)23-16(3)27-22(18-9-7-8-10-19(18)23)20-12-11-17(30-24(25)26)15-21(20)29-4/h7-12,15,24H,5-6,13-14H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [125I]sauvagine from CRF1 receptor expressed in human IMR32 cells				Bioorg Med Chem Lett 18: 891-6 (2008) Article DOI: 10.1016/j.bmcl.2007.12.050 BindingDB Entry DOI: 10.7270/Q28S4PPS
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50124937 (5-[4-(4-Chloro-benzyl)-piperazin-1-yl]-2,2-dimethy...) Show SMILES CC1(C)Cc2cccc3CCC(N4CCN(Cc5ccc(Cl)cc5)CC4)C(=O)N1c23 Show InChI InChI=1S/C25H30ClN3O/c1-25(2)16-20-5-3-4-19-8-11-22(24(30)29(25)23(19)20)28-14-12-27(13-15-28)17-18-6-9-21(26)10-7-18/h3-7,9-10,22H,8,11-17H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [3H]-YM 09151 from D4 receptor				Bioorg Med Chem Lett 13: 701-4 (2003) BindingDB Entry DOI: 10.7270/Q2B56J44
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50092046 (3-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1-ethyl-3,4...) Show SMILES CCN1C(=O)C(Cc2ccccc12)N1CCN(Cc2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C22H26ClN3O/c1-2-26-20-6-4-3-5-18(20)15-21(22(26)27)25-13-11-24(12-14-25)16-17-7-9-19(23)10-8-17/h3-10,21H,2,11-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [3H]-YM 09151 from D2 receptor				Bioorg Med Chem Lett 13: 701-4 (2003) BindingDB Entry DOI: 10.7270/Q2B56J44
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50231930 (1-(4-chloro-2-methylphenyl)-3-methyl-N,N-dipropyli...) Show SMILES CCCN(CCC)c1c(C)nc(-c2ccc(Cl)cc2C)c2ccccc12 Show InChI InChI=1S/C23H27ClN2/c1-5-13-26(14-6-2)23-17(4)25-22(20-9-7-8-10-21(20)23)19-12-11-18(24)15-16(19)3/h7-12,15H,5-6,13-14H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [125I]sauvagine from CRF1 receptor expressed in human IMR32 cells				Bioorg Med Chem Lett 18: 891-6 (2008) Article DOI: 10.1016/j.bmcl.2007.12.050 BindingDB Entry DOI: 10.7270/Q28S4PPS
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50231907 (1-(2,4-bis(2,2-difluoroethyl)-6-methoxyphenyl)-3-m...) Show SMILES CCCN(CCC)c1c(C)nc(-c2c(CC(F)F)cc(CC(F)F)cc2OC)c2ccccc12 |(8.74,-42.13,;7.41,-42.91,;7.42,-44.45,;6.09,-45.22,;4.75,-44.46,;4.74,-42.92,;3.41,-42.16,;6.1,-46.76,;4.77,-47.53,;3.44,-46.77,;4.77,-49.08,;6.1,-49.85,;6.1,-51.38,;4.77,-52.15,;3.43,-51.38,;2.1,-52.15,;.77,-51.38,;2.1,-53.69,;4.77,-53.69,;6.1,-54.46,;6.11,-56,;4.78,-56.78,;3.44,-56.01,;4.78,-58.32,;7.44,-53.68,;7.43,-52.15,;8.76,-51.37,;10.1,-52.14,;7.44,-49.07,;8.76,-49.83,;10.11,-49.06,;10.1,-47.51,;8.76,-46.75,;7.44,-47.53,)| Show InChI InChI=1S/C27H32F4N2O/c1-5-11-33(12-6-2)27-17(3)32-26(20-9-7-8-10-21(20)27)25-19(16-24(30)31)13-18(15-23(28)29)14-22(25)34-4/h7-10,13-14,23-24H,5-6,11-12,15-16H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Antagonist activity at CRF1 receptor expressed in mouse AtT20 cells assessed as inhibition of sauvagine-stimulated cAMP accumulation				Bioorg Med Chem Lett 18: 891-6 (2008) Article DOI: 10.1016/j.bmcl.2007.12.050 BindingDB Entry DOI: 10.7270/Q28S4PPS
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50272636 (4-ethyl-6-methoxy-2-(2-methoxy-4,6-dimethylphenyl)...) Show SMILES CCCN(CCC)c1c(CC)nc(nc1OC)-c1c(C)cc(C)cc1OC Show InChI InChI=1S/C22H33N3O2/c1-8-11-25(12-9-2)20-17(10-3)23-21(24-22(20)27-7)19-16(5)13-15(4)14-18(19)26-6/h13-14H,8-12H2,1-7H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [125I]sauvagine from human CRF1 receptor expressed in IMR32 cells				Bioorg Med Chem Lett 18: 4486-90 (2008) Article DOI: 10.1016/j.bmcl.2008.07.063 BindingDB Entry DOI: 10.7270/Q2NG4RJ4
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50124935 (2-Methyl-5-[4-(4-methyl-benzyl)-piperazin-1-yl]-1,...) Show SMILES CC1Cc2cccc3CCC(N4CCN(Cc5ccc(C)cc5)CC4)C(=O)N1c23 Show InChI InChI=1S/C25H31N3O/c1-18-6-8-20(9-7-18)17-26-12-14-27(15-13-26)23-11-10-21-4-3-5-22-16-19(2)28(24(21)22)25(23)29/h3-9,19,23H,10-17H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [3H]-YM 09151 from D2 receptor				Bioorg Med Chem Lett 13: 701-4 (2003) BindingDB Entry DOI: 10.7270/Q2B56J44
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50231910 (1-(4-methoxy-2,6-dimethylphenyl)-3-methyl-N,N-dipr...) Show SMILES CCCN(CCC)c1c(C)nc(-c2c(C)cc(OC)cc2C)c2ccccc12 |(23.41,-40.7,;22.08,-41.48,;22.09,-43.02,;20.76,-43.79,;19.42,-43.03,;19.42,-41.49,;18.08,-40.73,;20.77,-45.33,;19.44,-46.11,;18.11,-45.34,;19.44,-47.65,;20.77,-48.42,;20.78,-49.96,;22.11,-50.72,;23.44,-49.94,;22.11,-52.25,;20.78,-53.03,;20.78,-54.57,;19.45,-55.35,;19.44,-52.26,;19.44,-50.73,;18.11,-49.96,;22.11,-47.64,;23.43,-48.4,;24.78,-47.63,;24.77,-46.08,;23.44,-45.32,;22.11,-46.1,)| Show InChI InChI=1S/C25H32N2O/c1-7-13-27(14-8-2)25-19(5)26-24(21-11-9-10-12-22(21)25)23-17(3)15-20(28-6)16-18(23)4/h9-12,15-16H,7-8,13-14H2,1-6H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [125I]sauvagine from CRF1 receptor expressed in human IMR32 cells				Bioorg Med Chem Lett 18: 891-6 (2008) Article DOI: 10.1016/j.bmcl.2007.12.050 BindingDB Entry DOI: 10.7270/Q28S4PPS
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50231909 (1-(4-methoxy-2-methylphenyl)-3-methyl-N,N-dipropyl...) Show SMILES CCCN(CCC)c1c(C)nc(-c2ccc(OC)cc2C)c2ccccc12 Show InChI InChI=1S/C24H30N2O/c1-6-14-26(15-7-2)24-18(4)25-23(21-10-8-9-11-22(21)24)20-13-12-19(27-5)16-17(20)3/h8-13,16H,6-7,14-15H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [125I]sauvagine from CRF1 receptor expressed in human IMR32 cells				Bioorg Med Chem Lett 18: 891-6 (2008) Article DOI: 10.1016/j.bmcl.2007.12.050 BindingDB Entry DOI: 10.7270/Q28S4PPS
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50124938 (5-[4-(5-Chloro-2-methoxy-benzyl)-piperazin-1-yl]-2...) Show SMILES COc1ccc(Cl)cc1CN1CCN(CC1)C1CCc2cccc3CC(C)(C)N(c23)C1=O Show InChI InChI=1S/C26H32ClN3O2/c1-26(2)16-19-6-4-5-18-7-9-22(25(31)30(26)24(18)19)29-13-11-28(12-14-29)17-20-15-21(27)8-10-23(20)32-3/h4-6,8,10,15,22H,7,9,11-14,16-17H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [3H]-YM 09151 from D4 receptor				Bioorg Med Chem Lett 13: 701-4 (2003) BindingDB Entry DOI: 10.7270/Q2B56J44
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50231926 (1-(2,4-dimethyl-6-(2-morpholinoethoxy)phenyl)-3-me...) Show SMILES CCCN(CCC)c1c(C)nc(-c2c(C)cc(C)cc2OCCN2CCOCC2)c2ccccc12 |(-4.87,-42.46,;-6.2,-43.24,;-6.19,-44.78,;-7.52,-45.55,;-8.86,-44.79,;-8.87,-43.25,;-10.21,-42.48,;-7.52,-47.09,;-8.84,-47.86,;-10.18,-47.09,;-8.84,-49.41,;-7.51,-50.18,;-7.51,-51.71,;-8.84,-52.48,;-10.18,-51.71,;-8.84,-54.02,;-7.51,-54.79,;-7.51,-56.33,;-6.17,-54.01,;-6.18,-52.48,;-4.85,-51.7,;-3.51,-52.47,;-2.18,-51.69,;-.84,-52.46,;-.85,-53.99,;.48,-54.76,;1.82,-53.99,;1.82,-52.45,;.48,-51.67,;-6.17,-49.4,;-4.85,-50.16,;-3.5,-49.39,;-3.51,-47.84,;-4.85,-47.08,;-6.18,-47.85,)| Show InChI InChI=1S/C30H41N3O2/c1-6-12-33(13-7-2)30-24(5)31-29(25-10-8-9-11-26(25)30)28-23(4)20-22(3)21-27(28)35-19-16-32-14-17-34-18-15-32/h8-11,20-21H,6-7,12-19H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [125I]sauvagine from CRF1 receptor expressed in human IMR32 cells				Bioorg Med Chem Lett 18: 891-6 (2008) Article DOI: 10.1016/j.bmcl.2007.12.050 BindingDB Entry DOI: 10.7270/Q28S4PPS
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50231912 (1-(2-(2-(4-(dipropylamino)-3-methylisoquinolin-1-y...) Show SMILES CCCN(CCC)c1c(C)nc(-c2c(C)cc(C)cc2OCCN2CCCC(O)C2)c2ccccc12 |w:27.28,(26.97,-42.89,;25.64,-43.67,;25.65,-45.21,;24.32,-45.99,;22.98,-45.22,;22.98,-43.68,;21.64,-42.92,;24.33,-47.53,;23,-48.3,;21.67,-47.53,;23,-49.84,;24.33,-50.61,;24.34,-52.15,;23,-52.92,;21.67,-52.15,;23,-54.46,;24.34,-55.23,;24.34,-56.77,;25.67,-54.45,;25.67,-52.91,;27,-52.14,;28.33,-52.9,;29.66,-52.13,;31,-52.89,;31,-54.42,;32.33,-55.19,;33.66,-54.42,;33.66,-52.88,;34.99,-52.11,;32.32,-52.11,;25.67,-49.83,;26.99,-50.6,;28.34,-49.83,;28.33,-48.28,;27,-47.51,;25.67,-48.29,)| Show InChI InChI=1S/C31H43N3O2/c1-6-14-34(15-7-2)31-24(5)32-30(26-12-8-9-13-27(26)31)29-23(4)19-22(3)20-28(29)36-18-17-33-16-10-11-25(35)21-33/h8-9,12-13,19-20,25,35H,6-7,10-11,14-18,21H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [125I]sauvagine from CRF1 receptor expressed in human IMR32 cells				Bioorg Med Chem Lett 18: 891-6 (2008) Article DOI: 10.1016/j.bmcl.2007.12.050 BindingDB Entry DOI: 10.7270/Q28S4PPS
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50272751 (4-chloro-2-(2-methoxy-4,6-dimethylphenyl)-6-methyl...) Show SMILES CCCN(CCC)c1c(C)nc(nc1Cl)-c1c(C)cc(C)cc1OC Show InChI InChI=1S/C20H28ClN3O/c1-7-9-24(10-8-2)18-15(5)22-20(23-19(18)21)17-14(4)11-13(3)12-16(17)25-6/h11-12H,7-10H2,1-6H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [125I]sauvagine from human CRF1 receptor expressed in IMR32 cells				Bioorg Med Chem Lett 18: 4486-90 (2008) Article DOI: 10.1016/j.bmcl.2008.07.063 BindingDB Entry DOI: 10.7270/Q2NG4RJ4
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50124933 (5-[4-(2-Methoxy-4-methyl-benzyl)-piperazin-1-yl]-2...) Show SMILES COc1cc(C)ccc1CN1CCN(CC1)C1CCc2cccc3CC(C)(C)N(c23)C1=O Show InChI InChI=1S/C27H35N3O2/c1-19-8-9-22(24(16-19)32-4)18-28-12-14-29(15-13-28)23-11-10-20-6-5-7-21-17-27(2,3)30(25(20)21)26(23)31/h5-9,16,23H,10-15,17-18H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [3H]-YM 09151 from D4 receptor				Bioorg Med Chem Lett 13: 701-4 (2003) BindingDB Entry DOI: 10.7270/Q2B56J44
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50231923 (1-(2-ethyl-4-methoxyphenyl)-3-methyl-N,N-dipropyli...) Show SMILES CCCN(CCC)c1c(C)nc(-c2ccc(OC)cc2CC)c2ccccc12 Show InChI InChI=1S/C25H32N2O/c1-6-15-27(16-7-2)25-18(4)26-24(22-11-9-10-12-23(22)25)21-14-13-20(28-5)17-19(21)8-3/h9-14,17H,6-8,15-16H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [125I]sauvagine from CRF1 receptor expressed in human IMR32 cells				Bioorg Med Chem Lett 18: 891-6 (2008) Article DOI: 10.1016/j.bmcl.2007.12.050 BindingDB Entry DOI: 10.7270/Q28S4PPS
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50231924 (1-(2-(2-(4-(dipropylamino)-3-methylisoquinolin-1-y...) Show SMILES CCCN(CCC)c1c(C)nc(-c2c(C)cc(C)cc2OCCN2CCC(O)CC2)c2ccccc12 |(11.5,-41.67,;10.17,-42.45,;10.18,-43.99,;8.85,-44.76,;7.51,-44,;7.51,-42.46,;6.17,-41.69,;8.86,-46.3,;7.53,-47.07,;6.2,-46.3,;7.53,-48.62,;8.86,-49.39,;8.87,-50.92,;7.53,-51.69,;6.2,-50.92,;7.53,-53.23,;8.87,-54,;8.87,-55.54,;10.2,-53.22,;10.2,-51.69,;11.53,-50.91,;12.86,-51.68,;14.2,-50.9,;15.53,-51.67,;15.53,-53.2,;16.86,-53.96,;18.19,-53.2,;19.53,-53.97,;18.19,-51.65,;16.86,-50.88,;10.2,-48.61,;11.52,-49.37,;12.87,-48.6,;12.86,-47.05,;11.53,-46.29,;10.2,-47.06,)| Show InChI InChI=1S/C31H43N3O2/c1-6-14-34(15-7-2)31-24(5)32-30(26-10-8-9-11-27(26)31)29-23(4)20-22(3)21-28(29)36-19-18-33-16-12-25(35)13-17-33/h8-11,20-21,25,35H,6-7,12-19H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [125I]sauvagine from CRF1 receptor expressed in human IMR32 cells				Bioorg Med Chem Lett 18: 891-6 (2008) Article DOI: 10.1016/j.bmcl.2007.12.050 BindingDB Entry DOI: 10.7270/Q28S4PPS
					More data for this Ligand-Target Pair

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